6SOD

Fragment N14056a in complex with MAP kinase p38-alpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	45.930, 85.310, 126.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.170 - 1.870
R-factor	0.1905
Rwork	0.190
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6so1
RMSD bond length	0.009
RMSD bond angle	0.819
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.170	1.920
High resolution limit [Å]	1.870	1.870
Number of reflections	41836	3064
<I/σ(I)>	13.5	1.5
Completeness [%]	99.8	100
Redundancy	6.5	6.8
CC(1/2)	0.999	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	291	27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol